2,6-Dimethyl-4-methoxybenzoic acid

Base Information

• Chemical Name: 2,6-Dimethyl-4-methoxybenzoic acid
• CAS No.: 37934-89-7
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID301297647
• Nikkaji Number: J3.552.673K
• Mol file: 37934-89-7.mol

Synonyms:2,6-DIMETHYL-4-METHOXYBENZOIC ACID;37934-89-7;4-methoxy-2,6-dimethylbenzoic acid;2,6-Dimethyl-4-methoxybenzoicacid;Benzoic acid, 4-methoxy-2,6-dimethyl-;AB-131/25126040;SCHEMBL484746;DTXSID301297647;AMY40028;CL9112;MFCD01194287;4-methoxy-2,6-dimethyl-benzoic acid;AKOS004907092;DS-12314;CS-0094401;FT-0736850;J3.552.673K;EN300-108416;Z1198156438

Chemical Property of 2,6-Dimethyl-4-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.000266mmHg at 25°C
• Melting Point: 144.5-145 °C
• Refractive Index: 1.537
• Boiling Point: 310 °C at 760 mmHg
• PKA: 3.98±0.37(Predicted)
• Flash Point: 121.7 °C
• PSA: 46.53000
• Density: 1.136 g/cm³
• LogP: 2.01020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dimethyl-4-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C(=O)O)C)OC

Technology Process of 2,6-Dimethyl-4-methoxybenzoic acid

There total 12 articles about 2,6-Dimethyl-4-methoxybenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

carbon dioxide (124-38-9,18923-20-1) + 2-bromo-5-methoxy-1,3-dimethyl-benzene (6267-34-1) → 2,6-Dimethyl-4-methoxybenzoic acid (37934-89-7)

Guidance literature:

carbon dioxide; 2-bromo-5-methoxy-1,3-dimethyl-benzene; With n-butyllithium; In tetrahydrofuran; hexanes; at -78 ℃; for 0.833333h;

With hydrogenchloride; water; In tetrahydrofuran; hexanes; at 0 ℃;

Reference yield: 84.0%

2-chloro-4-methoxybenzoic acid (21971-21-1) + trimethylaluminum (75-24-1) → 2,6-Dimethyl-4-methoxybenzoic acid (37934-89-7)

Guidance literature:

2-chloro-4-methoxybenzoic acid; trimethylaluminum; With iron(III)-acetylacetonate; 4-(bis(2-(diphenylphosphanyl)phenyl)phosphanyl)-N,N-dimethylaniline; In tetrahydrofuran; 1,2-dimethoxyethane; toluene; at 20 ℃; Inert atmosphere; Schlenk technique;

With 2,3-dichlorobutane; In tetrahydrofuran; 1,2-dimethoxyethane; toluene; at 70 ℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/jacs.6b06908

Reference yield: 8.0%

4-methoxy-2,6-dimethylbenzylaldehyde (19447-00-8) → 2,6-Dimethyl-4-methoxybenzoic acid (37934-89-7)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; water; In acetone; for 4h; Ambient temperature;

upstream raw materials:

(4-methoxy-2,6-dimethylphenyl)methanol

2-bromo-5-methoxy-1,3-dimethyl-benzene

4-methoxy-2,6-dimethylbenzylaldehyde

2,6-dimethyl-4-methoxybenzoyl chloride

Downstream raw materials:

4,4'-Dimethoxy-2,6,2',6'-tetramethyl-benzil

2,4-dinitrophenyl 4-methoxy-2,6-dimethylbenzoate

2,6-dimethyl-4-methoxybenzoyl chloride

2,6-dimethyl-4-hydroxybenzoic acid